| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| April 14th, 2008 | 18 | Yes |
Popular Name: 3-(1-methyl-1,2,3,6-tetrahydro-4-pyridinyl)-1H-indole-5-carbonitrile 3-(1-methyl-1,2,3,6-tetrahydro-4…
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CAS Numbers: 116480-60-5 , [116480-60-5]
3-(1-Methyl-1,2,3,6-tetrahydro-4-pyridyl)indole-5-carbonitrile
3-(1-Methyl-1,2,3,6-tetrahydropyridin-4-yl)-1H-indole-5-carbonitrile
| Type pH range | xlogP | Des A‑Pol Apolar desolvation (kcal/mol) | Des Pol Polar desolvation (kcal/mol) | H Don H-bond donors | H Acc H-bond acceptors | Chg Net charge | tPSA (Ų) | MWT Molecular weight (g/mol) | RB Rotatable bonds | DL |
|---|---|---|---|---|---|---|---|---|---|---|
| Ref Reference (pH 7) | 2.21 | 2.18 | -40.75 | 2 | 3 | 1 | 44 | 238.314 | 1 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| Purity | >95% | Matrix Scientific |
| Warnings | IRRITANT | Matrix Scientific |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| SC6A4-1-E | Serotonin Transporter (cluster #1 Of 4), Eukaryotic | Eukaryotes | 19 | 0.60 | Binding ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| SC6A4_HUMAN | P31645 | Serotonin Transporter, Human | 19 | 0.60 | Binding ≤ 1μM |
| SC6A4_HUMAN | P31645 | Serotonin Transporter, Human | 19 | 0.60 | Binding ≤ 10μM |
No pre-computed analogs available. Try a structural similarity search.